3-(4-bromo-3-chloro-2-fluorophenyl)pyrrolidin-3-ol

C10H10BrClFNO — CID 106761271

IUPAC3-(4-bromo-3-chloro-2-fluorophenyl)pyrrolidin-3-ol
SMILESOC1(c2ccc(Br)c(Cl)c2F)CCNC1
InChIInChI=1S/C10H10BrClFNO/c11-7-2-1-6(9(13)8(7)12)10(15)3-4-14-5-10/h1-2,14-15H,3-5H2
InChIKeyZAXLITCTCSZOIQ-UHFFFAOYSA-N
MW294.55 g/mol
LogP2.42
Rot. Bonds1

About 3-(4-bromo-3-chloro-2-fluorophenyl)pyrrolidin-3-ol

3-(4-bromo-3-chloro-2-fluorophenyl)pyrrolidin-3-ol (PubChem CID 106761271) has the molecular formula C10H10BrClFNO and a molecular weight of 294.55 g/mol. Its IUPAC name is 3-(4-bromo-3-chloro-2-fluorophenyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name3-(4-bromo-3-chloro-2-fluorophenyl)pyrrolidin-3-ol
PubChem CID106761271
Molecular FormulaC10H10BrClFNO
Molecular Weight294.55 g/mol
Exact Mass292.96
IUPAC Name3-(4-bromo-3-chloro-2-fluorophenyl)pyrrolidin-3-ol
SMILESOC1(c2ccc(Br)c(Cl)c2F)CCNC1
InChIInChI=1S/C10H10BrClFNO/c11-7-2-1-6(9(13)8(7)12)10(15)3-4-14-5-10/h1-2,14-15H,3-5H2
InChIKeyZAXLITCTCSZOIQ-UHFFFAOYSA-N
XLogP2.42
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.55
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 3-(4-bromo-3-chloro-2-fluorophenyl)pyrrolidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-Bromophenyl)pyrrolidin-3-ol hydrochloride
CID 3051527
3-(4-Bromophenyl)-5-methylpyrrolidin-3-ol--hydrogen chloride (1/1)
CID 3051529
3-(3-Chlorophenyl)pyrrolidin-3-ol
CID 3051542
3-(3-Chloro-5-fluorophenyl)pyrrolidin-3-ol
CID 68515653
3-(3-Chloro-2-fluorophenyl)pyrrolidin-3-ol
CID 68515744
3-(3-Chloro-4-fluorophenyl)pyrrolidin-3-ol
CID 68517837
3-(5-Bromo-2-fluorophenyl)pyrrolidin-3-ol
CID 79743506
3-(4-Bromophenyl)pyrrolidin-3-ol
CID 3051528
2-(4-Bromo-2-fluorophenyl)-1-(ethylamino)propan-2-ol
CID 82973789
3-(5-Chloro-2-fluorophenyl)pyrrolidin-3-ol
CID 84126057
1-(4-Bromo-5-chloro-2-fluorophenyl)-2-(methylamino)ethanol
CID 84812500
3-(3-Bromo-2-fluorophenyl)pyrrolidin-3-ol
CID 103840587

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-3-chloro-2-fluorophenyl)pyrrolidin-3-ol?
The IUPAC name of 3-(4-bromo-3-chloro-2-fluorophenyl)pyrrolidin-3-ol (CID 106761271) is 3-(4-bromo-3-chloro-2-fluorophenyl)pyrrolidin-3-ol.
What is the SMILES notation for 3-(4-bromo-3-chloro-2-fluorophenyl)pyrrolidin-3-ol?
The canonical SMILES for 3-(4-bromo-3-chloro-2-fluorophenyl)pyrrolidin-3-ol is OC1(c2ccc(Br)c(Cl)c2F)CCNC1.
What is the InChIKey of 3-(4-bromo-3-chloro-2-fluorophenyl)pyrrolidin-3-ol?
The InChIKey is ZAXLITCTCSZOIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClFNO/c11-7-2-1-6(9(13)8(7)12)10(15)3-4-14-5-10/h1-2,14-15H,3-5H2.
What are the key properties of 3-(4-bromo-3-chloro-2-fluorophenyl)pyrrolidin-3-ol?
3-(4-bromo-3-chloro-2-fluorophenyl)pyrrolidin-3-ol has a molecular weight of 294.55 g/mol, XLogP of 2.42, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-3-chloro-2-fluorophenyl)pyrrolidin-3-ol is sourced from PubChem (CID 106761271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).